Molecular dynamics simulations based on the diffusion interface of solid-phase Ti, Al system

This is a simulation of Ti-Al interfacial diffusion of the in file and the use of the potential function, through the model code can be watched to the Ti-Al interfacial diffusion, this code to 650k, [110] crystal down as an example, can be changed by changing the code to change the temperature and crystal direction, to study different temperatures, crystal direction of the Ti-Al interfacial diffusion.本数据集为随附文件中钛铝（Ti-Al）界面扩散的模拟内容，采用势函数（potential function）进行建模。通过该模型代码可观测钛铝界面扩散过程；本代码以650开尔文（650K）、[110]晶向为例进行演示，用户可通过修改代码调整温度与晶向参数，以研究不同温度、不同晶向下的钛铝界面扩散行为。